(4R)-2-cyclopropyl-2-ethyl-3,4-dihydrochromen-4-ol

C14H18O2 — CID 104950033

IUPAC(4R)-2-cyclopropyl-2-ethyl-3,4-dihydrochromen-4-ol
SMILESCCC1(C2CC2)C[C@@H](O)c2ccccc2O1
InChIInChI=1S/C14H18O2/c1-2-14(10-7-8-10)9-12(15)11-5-3-4-6-13(11)16-14/h3-6,10,12,15H,2,7-9H2,1H3/t12-,14?/m1/s1
InChIKeyCBUKYFSAVMLISK-PUODRLBUSA-N
MW218.30 g/mol
LogP3.06
Rot. Bonds2

About (4R)-2-cyclopropyl-2-ethyl-3,4-dihydrochromen-4-ol

(4R)-2-cyclopropyl-2-ethyl-3,4-dihydrochromen-4-ol (PubChem CID 104950033) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (4R)-2-cyclopropyl-2-ethyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name(4R)-2-cyclopropyl-2-ethyl-3,4-dihydrochromen-4-ol
PubChem CID104950033
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(4R)-2-cyclopropyl-2-ethyl-3,4-dihydrochromen-4-ol
SMILESCCC1(C2CC2)C[C@@H](O)c2ccccc2O1
InChIInChI=1S/C14H18O2/c1-2-14(10-7-8-10)9-12(15)11-5-3-4-6-13(11)16-14/h3-6,10,12,15H,2,7-9H2,1H3/t12-,14?/m1/s1
InChIKeyCBUKYFSAVMLISK-PUODRLBUSA-N
XLogP3.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-cyclopropyl-2-ethyl-3,4-dihydrochromen-4-ol?
The IUPAC name of (4R)-2-cyclopropyl-2-ethyl-3,4-dihydrochromen-4-ol (CID 104950033) is (4R)-2-cyclopropyl-2-ethyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for (4R)-2-cyclopropyl-2-ethyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for (4R)-2-cyclopropyl-2-ethyl-3,4-dihydrochromen-4-ol is CCC1(C2CC2)C[C@@H](O)c2ccccc2O1.
What is the InChIKey of (4R)-2-cyclopropyl-2-ethyl-3,4-dihydrochromen-4-ol?
The InChIKey is CBUKYFSAVMLISK-PUODRLBUSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-14(10-7-8-10)9-12(15)11-5-3-4-6-13(11)16-14/h3-6,10,12,15H,2,7-9H2,1H3/t12-,14?/m1/s1.
What are the key properties of (4R)-2-cyclopropyl-2-ethyl-3,4-dihydrochromen-4-ol?
(4R)-2-cyclopropyl-2-ethyl-3,4-dihydrochromen-4-ol has a molecular weight of 218.30 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-cyclopropyl-2-ethyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 104950033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).